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Compile Data Set for Download or QSAR

Found 42 hits of kd data for polymerid = 10163,2124,2212,3139,49000869   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50346951
PNG
(CHEMBL1795711 | CHEMBL1795714)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1
Show InChI InChI=1S/C27H29IN2O4/c28-18-3-1-2-17(12-18)25(32)29-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-30(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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n/an/an/a 0.0270n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KOR-1 expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 21: 4001-4 (2011)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/a 0.0290n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Dissociation constant against wild type EL-2 Opioid receptor kappa 1 expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/a 0.0380n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Dissociation constant against E203Q,D204N,D206N,E209Q EL-2 Opioid receptor kappa 1 expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/a 0.0500n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Dissociation constant against D216N,D217N,E218Q EL-2 Opioid receptor kappa 1 expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50346952
PNG
(CHEMBL1795712 | CHEMBL1795715)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1
Show InChI InChI=1S/C26H27IN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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n/an/an/a 0.0500n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to KOR-1 expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 21: 4001-4 (2011)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/a 0.0500n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Dissociation constant against E203Q,D204N,D206N EL-2 Opioid receptor kappa 1 expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 0.300n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



University of Kansas Specialized Chemistry Center, 2034 Becker Drive, Lawrence, KS 66047-3761, USA.

Curated by ChEMBL


Assay Description
Binding affinity to rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/a 1.10n/an/an/a7.425



University of North Carolina School of Medicine



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...


J Biol Chem 288: 34470-83 (2013)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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n/an/an/a 1.65n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in mouse brain tissue


J Biol Chem 282: 29803-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50035471
PNG
(2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
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n/an/an/a 2.40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane using [3H]-U-69,593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50035476
PNG
(CHEMBL413530 | N-[(S)-1-(3-Amino-phenyl)-2-pyrroli...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)12-15-7-8-18(22)19(23)11-15)20(14-26-9-2-3-10-26)16-5-4-6-17(24)13-16/h4-8,11,13,20H,2-3,9-10,12,14,24H2,1H3/t20-/m1/s1
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n/an/an/a 3.40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane; using [3H]-U-69,593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 4.30n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 4.5n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50039183
PNG
(CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...)
Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1
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n/an/an/a 16n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for its antagonist activity against kappa receptor using U-69,593 as radioligand in isolated guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for its antagonist activity against kappa receptor using U-69,593 as radioligand in isolated guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 83n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019093
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-piperidin...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
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n/an/an/a 120n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 122n/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 137n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019094
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxyl...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO3/c1-3-10-18-11-6-9-17(13-18,16(20)21-4-2)14-7-5-8-15(19)12-14/h3,5,7-8,12,19H,1,4,6,9-11,13H2,2H3/t17-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

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Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Research Triangle Institute

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Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 625n/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

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Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019095
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C18H25NO3/c1-4-11-19-12-7-10-18(14(19)3,17(21)22-5-2)15-8-6-9-16(20)13-15/h4,6,8-9,13-14,20H,1,5,7,10-12H2,2-3H3/t14-,18+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50452273
PNG
(DIHYDROMORPHINE | Dihydromorphine)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 830n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019097
PNG
(1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2-methyl-...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C19H27NO3/c1-3-23-18(22)19(16-6-4-7-17(21)12-16)10-5-11-20(14(19)2)13-15-8-9-15/h4,6-7,12,14-15,21H,3,5,8-11,13H2,1-2H3/t14-,19+/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019098
PNG
(3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-car...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO3/c1-4-20-15(19)16(9-6-10-17(3)12(16)2)13-7-5-8-14(18)11-13/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3/t12-,16+/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019092
PNG
(3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxy...)
Show SMILES CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO3/c1-3-19-14(18)15(8-5-9-16(2)11-15)12-6-4-7-13(17)10-12/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3/t15-/m1/s1
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n/an/an/a 2.20E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019091
PNG
(3-(3-Hydroxy-phenyl)-2-methyl-1-phenethyl-piperidi...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO3/c1-3-27-22(26)23(20-11-7-12-21(25)17-20)14-8-15-24(18(23)2)16-13-19-9-5-4-6-10-19/h4-7,9-12,17-18,25H,3,8,13-16H2,1-2H3/t18-,23+/m0/s1
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n/an/an/a 2.60E+3n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 2.95E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 3.72E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 3.72E+3n/an/an/an/an/a



Research Triangle Institute

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Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 4.89E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 4.89E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI


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Ligand-Target Pair